(3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide

C12H14N4O — CID 39730515

IUPAC(3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide
SMILESC[C@H](CC(=O)Nc1ccccc1)n1cncn1
InChIInChI=1S/C12H14N4O/c1-10(16-9-13-8-14-16)7-12(17)15-11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeySSZQTRNBOVJWOD-SNVBAGLBSA-N
MW230.27 g/mol
LogP1.87
Rot. Bonds4

About (3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide

(3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide (PubChem CID 39730515) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is (3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound Name(3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide
PubChem CID39730515
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name(3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide
SMILESC[C@H](CC(=O)Nc1ccccc1)n1cncn1
InChIInChI=1S/C12H14N4O/c1-10(16-9-13-8-14-16)7-12(17)15-11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeySSZQTRNBOVJWOD-SNVBAGLBSA-N
XLogP1.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide
CID 15943467
N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
CID 15943640
(3S)-N-phenyl-3-pyrazol-1-ylbutanamide
CID 92708085
(3R)-3-(1,2,4-triazol-1-yl)butanehydrazide
CID 35399839
(3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)butanamide
CID 40793194
(3S)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
CID 8722030
N-phenyl-2-(1,2,4-triazol-1-yl)hexanamide
CID 13201024
(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 32592112
(2S)-N-[(1S)-2-anilino-2-oxo-1-phenylethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 97213174
(3R)-3-chloro-N-phenylbutanamide
CID 94188827
(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324
(3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide
CID 92707965

Frequently Asked Questions

What is the IUPAC name of (3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of (3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide (CID 39730515) is (3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for (3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for (3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide is C[C@H](CC(=O)Nc1ccccc1)n1cncn1.
What is the InChIKey of (3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is SSZQTRNBOVJWOD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14N4O/c1-10(16-9-13-8-14-16)7-12(17)15-11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide?
(3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 230.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 39730515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).